(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone

C16H22ClN5O2 — CID 95722359

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCC[C@@](O)(CN(C)C)C3)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-7-18-14-12(17)13(19-22(14)8-11)15(23)21-6-4-5-16(24,10-21)9-20(2)3/h7-8,24H,4-6,9-10H2,1-3H3/t16-/m1/s1
InChIKeyLDLVRUYURAUOPJ-MRXNPFEDSA-N
MW351.84 g/mol
LogP1.22
Rot. Bonds3

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone (PubChem CID 95722359) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
PubChem CID95722359
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCC[C@@](O)(CN(C)C)C3)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-7-18-14-12(17)13(19-22(14)8-11)15(23)21-6-4-5-16(24,10-21)9-20(2)3/h7-8,24H,4-6,9-10H2,1-3H3/t16-/m1/s1
InChIKeyLDLVRUYURAUOPJ-MRXNPFEDSA-N
XLogP1.22
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone (CID 95722359) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone is Cc1cnc2c(Cl)c(C(=O)N3CCC[C@@](O)(CN(C)C)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is LDLVRUYURAUOPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-11-7-18-14-12(17)13(19-22(14)8-11)15(23)21-6-4-5-16(24,10-21)9-20(2)3/h7-8,24H,4-6,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 351.84 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 95722359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).